Information card for entry 7155921

Structure parameters

• Chemical name: benzyl 6-deoxy-2,3-O-(1-methylethylidene)-?-D-mannofuranoside
• Formula: C16 H22 O5
• Calculated formula: C16 H22 O5
• SMILES: O1[C@H]2[C@@H](OC1(C)C)[C@H](O[C@@H]2OCc1ccccc1)[C@H](O)C
• Title of publication: Accessing 2-substituted piperidine iminosugars by organometallic addition/intramolecular reductive amination: aldehyde vs nitrone route
• Authors of publication: Mirabella, Stefania; Fibbi, Giulia; Matassini, Camilla; Faggi, Cristina; Goti, Andrea; Cardona, Francesca
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 5.7984 ± 0.0001 Å
• b: 7.8542 ± 0.0002 Å
• c: 33.8291 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1540.64 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No